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Theoretical Chemistry

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Here we provide a link to the Ananth Group GitHub page containing our Semiclassical Initial Value Representation (SC-IVR) FORTRAN code package. The program contains various ways of computing the real-time correlation function under the SC-IVR formalism. This program has been written and used by members of the Ananth group, and has not been formally reviewed or published; bugs and errors may be present. Documentation is now available.

Created by Matthew S. Church

See the following for reference:

M.S. Church, S.V. Antipov, and N. Ananth. J. Chem. Phys. 146, 234104 (2017)

M.S. Church, T.J.H. Hele, G.S. Ezra, and N. Ananth. J. Chem. Phys. 148 102326 (2018)

S.V. Antipov, Z. Ye, and N.Ananth. J. Chem. Phys. 142, 184102 (2015)

W.H. Miller, J. Phys. Chem. A 105, 2942 (2001)

Latest Update 02/06/2017 SC-Corr Code Package Documentation